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Ligand

NameCHEMBL344992
Molecular formulaC21H25FN4O2
IUPAC name8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight384.455
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.6
Synonyms8-[Cyclopropyl-(4-fluoro-phenyl)-methyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
1,3-Dipropyl-8-(alpha-cyclopropyl-4-fluorobenzyl)xanthine
BDBM50011225
SCHEMBL7269736
Inchi KeyGDGUEXHQRZLZNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25FN4O2/c1-3-11-25-19-17(20(27)26(12-4-2)21(25)28)23-18(24-19)16(13-5-6-13)14-7-9-15(22)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,23,24)
PubChem CID15010011
ChEMBLCHEMBL344992
IUPHARN/A
BindingDB50011225
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
93611Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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